N-[(E)-(3-benzyl-1,3-benzothiazol-2-ylidene)amino]piperidine-4-carboxamide
Molecular Formula : C20H22N4OS | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |N-[(E)-(3-benzyl-1,3-benzothiazol-2-ylidene)amino]piperidine-4-carboxamide is a drug-like molecule.
MolName : N-[(E)-(3-benzyl-1,3-benzothiazol-2-ylidene)amino]piperidine-4-carboxamide |
MolecularFormula : C20H22N4OS |
Smiles : O=C(C1CCNCC1)N/N=C1/Sc(cccc2)c2N1Cc1ccccc1 |
InChI : InChI=1S/C20H22N4OS/c25-19(16-10-12-21-13-11-16)22-23-20-24(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-20/h1-9,16,21H,10-14H2,(H,22,25) |
InChIK : CEJIJOVZNMAICW-UHFFFAOYSA-N |
TotalMolweight : 366.488 |
Molweight : 366.488 |
MonoisotopicMass : 366.151431 |
CLogP : 2.6425 |
CLogS : -5.228 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 278.75 |
Relative PSA : 0.24578 |
PolarSurfaceArea : 82.03 |
Druglikeness : 5.8718 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : low |
Nasty Functions : acyl-hydrazone |
Shape Index : 0.53846 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |